SCHEMBL4704544

SCHEMBL4704544

O=C(NCCO)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.44
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4788480 0.90 BDKRB1 (0.43) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4702475 0.89 BDKRB1 (0.42) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4704880 0.88 SIGMAR1 (0.43) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4706682 0.88 CYP1A2 (0.43) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4789400 0.87 BDKRB1 (0.43) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4703831 0.87 HDAC3 (0.42) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4705213 0.87 BDKRB1 (0.45) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4706569 0.86 BDKRB1 (0.51) BDKRB1KMT2AITGB1ITGA4ITGB7
SCHEMBL4700941 0.86 BDKRB1 (0.62) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4705843 0.86 BDKRB1 (0.44) BDKRB1HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed